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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
17-Jul-2018 | ScGd@C84_ipr_21 | Abella, Laura | ADF; 2013; 01 | Single point Minimum | DFT | TZP; TZ2P | - | ||||
17-Jul-2018 | ScGd@C84_ipr_23 | Abella, Laura | ADF; 2013; 01 | Single point Minimum | DFT | TZP; TZ2P | - | ||||
17-Jul-2018 | ScGd@C84 | Abella, Laura | ADF; 2013; 01 | Single point Minimum | DFT | TZP; TZ2P | - |
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